Geometry & MOs

Info

ID:	38212
PubChem CID:	8028057
Reduced:	N2S2O5C17H20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	395.137375
ΔH_f, kcal/mol:	-159.2
Dipole, Da:	5.67
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations